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Dissertations / Theses on the topic 'X-Ray Dynamical Diffraction Theory'

Author: Grafiati

Published: 28 May 2022

Last updated: 18 July 2025

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1

Moreno, Carrascosa Andrés. "Theory of elastic and inelastic X-ray scattering." Thesis, University of Edinburgh, 2018. http://hdl.handle.net/1842/31442.

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X-rays have been widely exploited to unravel the structure of matter since their discovery in 1895. Nowadays, with the emergence of new X-ray sources with higher intensity and very short pulse duration, notably X-ray Free Electron Lasers, the number of experiments that may be considered in the X-ray regime has increased dramatically, making the characterization of gas phase atoms and molecules in space and time possible. This thesis explores in the theoretical analysis and calculation of X-ray scattering atoms and molecules, far beyond the independent atom model. Amethod to calculate inelastic

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2

Olikhovskii, S. I., O. S. Skakunova, V. B. Molodkin, E. G. Len, B. K. Ostafiychuk, and V. M. Pylypiv. "Simulation of Reciprocal Space Maps for Thin Ion-Implanted Layers in Yttrium-Iron Garnet Films with Defects." Thesis, Sumy State University, 2015. http://essuir.sumdu.edu.ua/handle/123456789/42642.

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Numerical simulation of the reciprocal space maps measured from the ion-implanted single-crystal yttrium-iron garnet films on gadolinium-gallium garnet substrate has been carried out basing on the theoretical model of the triple-crystal dynamical diffractometry of crystalline multilayer systems with inhomogeneous strain distributions and randomly distributed defects. The presence of growth defects in both film and substrate as well as radiation defects created in subsurface layer of nanometer-scale thickness after 90 keV F+ ion implantation was taken into account in the proposed model of the

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3

Beyerlein, Kenneth Roy. "Simulation and modeling of the powder diffraction pattern from nanoparticles: studying the influence of surface strain." Diss., Georgia Institute of Technology, 2011. http://hdl.handle.net/1853/41211.

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Accurate statistical characterization of nanomaterials is crucial for their use in emerging technologies. This work investigates how different structural characteristics of metal nanoparticles influence the line profiles of the corresponding powder diffraction pattern. The effects of crystallite size, shape, lattice dynamics, and surface strain are all systematically studied in terms of their impact on the line profiles. The studied patterns are simulated from atomistic models of nanoparticles via the Debye function. This approach allows for the existing theories of diffraction to be tested,

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4

Jönsson, Olof. "Ultrafast Structural and Electron Dynamics in Soft Matter Exposed to Intense X-ray Pulses." Doctoral thesis, Uppsala universitet, Molekyl- och kondenserade materiens fysik, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-331936.

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Investigations of soft matter using ultrashort high intensity pulses have been made possible through the advent of X-ray free-electrons lasers. The last decade has seen the development of a new type of protein crystallography where femtosecond dynamics can be studied, and single particle imaging with atomic resolution is on the horizon. The pulses are so intense that any sample quickly turns into a plasma. This thesis studies the ultrafast transition from soft matter to warm dense matter, and the implications for structural determination of proteins. We use non-thermal plasm

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Beyerlein, Kenneth Roy. "Simulation and Modeling of the Powder Diffraction Pattern from Nanoparticles: Studying the Effects of Faulting in Small Crystallites." Doctoral thesis, Università degli studi di Trento, 2011. https://hdl.handle.net/11572/368693.

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Accurate statistical characterization of nanomaterials is crucial for their use in emerging technologies. This work investigates how different structural characteristics of metal nanoparticles influence the line profiles of the corresponding powder diffraction pattern. The effects of crystallite size, shape, lattice dynamics, and faulting are all systematically studied in terms of their impact on the line profiles. The studied patterns are simulated from atomistic models of nanoparticles via the Debye function. This approach allows for the existing theories of diffraction to be tested, and ex

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6

al, @Haddad Mostapha. "Théorie statistique de la diffraction des rayons X et des neutrons : [thèse soutenue sur un ensemble de travaux]." Grenoble 1, 1989. http://www.theses.fr/1989GRE10046.

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Theorie auto-coherente de la diffraction par un cristal statistiquement deforme en remplacant le cristal etudie par un cristal modele donnant le meme spectre de diffraction. Pour le cristal reel, deux solutions sont envisagees: solution analytique pour un cristal qui a la forme d'une plaquette, infinie dans la geometrie de transmission; solution numerique pour un cristal de forme convexe qui peut etre remplace par une sphere

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7

BENSOUSSAN, SERGE. "Deformations dans les heterostructures epitaxiees sur des substrats semiconducteurs iii-v : etude experimentale par diffraction de rayons x et simulation sur ordinateur." Paris 6, 1986. http://www.theses.fr/1986PA066374.

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La distribution de deformation a l'interface entre une couche epitaxique d'un compose tertiaire (arseniure de al et ga par exemple) et un support semiconducteur iii-v a pu etre mise en evidence et mesuree a l'aide, essentiellement, de la diffraction d'une onde rx plane ou pseudo-plane. Etude de la sensibilite de la methode a un etalement de l'interface en fonction de l'epaisseur de la couche et de son desaccord avec le support. Simulation sur ordinateur du profil de reflexion des jonctions abruptes et etalees. Application a divers echantillons et au cas des structures multicouches et des super

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8

Clarke, Stuart M. "The structure and properties of absorbed layers by X-ray and neutron scattering." Thesis, University of Oxford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.253326.

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9

Lizunova, S. V., O. S. Skakunova, S. I. Olikhovskii, et al. "Dynamical X-Ray Diffraction Characterization of the Self-Organized Quantum Dot Formation In Imperfect Semiconductor Superlattices." Thesis, Sumy State University, 2015. http://essuir.sumdu.edu.ua/handle/123456789/42647.

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The self-organized quantum dot (QD) formation in InGaAs/GaAs superlattices grown by molecular beam epitaxy was investigated by the high-resolution X-ray diffraction technique. The investigated samples had the identical structure consisting of fifteen periods of {InxGa1−xAs (8 ML)/GaAs (26 ML)} with the nominal In concentration x = 0.2. The diffraction profiles and reciprocal lattice maps for these samples have been measured at symmetrical (004) reflection by using the triple-crystal X-ray diffractometer. The analysis of the measured data was performed by using the proposed diffraction model ba

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10

Hey, Jakob. "From X-ray diffraction data annealing to comprehensive charge density analysis." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2013. http://hdl.handle.net/11858/00-1735-0000-0001-BBE1-7.

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Hiraki(Nishiyama), Toshiyuki. "Static structure and dynamical structural changes of nanoparticles using XFEL pulses." Kyoto University, 2020. http://hdl.handle.net/2433/253074.

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12

Bingham, Suzanne J. "Time-resolved X-ray diffraction studies of poly (ethylene terephthalate) during uniaxial and biaxial deformation." Thesis, Keele University, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.311124.

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13

Lopresti, Mattia. "Non-destructive X-ray based characterization of materials assisted by multivariate methods of data analysis: from theory to application." Doctoral thesis, Università del Piemonte Orientale, 2022. http://hdl.handle.net/11579/143020.

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X-ray based non-destructive techniques are an increasingly important tool in many fields, ranging from industry to fine arts, from medicine to basic research. Over the last century, the study of the physical phenomena underlying the interaction between X-rays and matter has led to the development of many different techniques suitable for morphological, textural, elementary, and compositional analysis. Furthermore, with the development of the hardware technology and its automation thanks to IT advancements, enormous progress has been made also from the point of view of data collection and nowad

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Fournet, Steven P. "High Resolution X-ray Diffraction Analysis of CB1 Receptor Antagonists as a Means to Explore Binding Affinity." ScholarWorks@UNO, 2013. http://scholarworks.uno.edu/td/1737.

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Abstract Charge density studies have been conducted on ten CB1 cannabinoid receptor antagonists via high resolution x-ray crystallography. Bond critical point values and various other properties derived from these studies including the electrostatic potential were analyzed in correlation to the affinity of each compound with the CB1 receptor. Correlation/anti-correlation was found between several properties and Ki. The data was also interpreted by principal component analysis with three principal components accounting for 85% of the data variation. Data mining was limit due to the low sample c

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Santos, Sinara de Fátima Freire dos. "Determinação da estrutura cristalográfica e estudo teórico de compostos de base de Schiff." Universidade de São Paulo, 2017. http://www.teses.usp.br/teses/disponiveis/75/75135/tde-05072017-145546/.

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Nos últimos anos, têm-se notado o aumento do número de pesquisas relacionadas aos complexos de metais de transição com base de Schiff devido a suas interessantes estruturas e amplas aplicações, isso se deve em parte a formação de complexos estáveis, apresentando um papel importante na química de coordenação. A determinação estrutural dos átomos nas moléculas é necessária para que suas propriedades químicas, físicas e biológicas possam ser compreendidas. Para esta finalidade, existe uma grande variedade de técnicas químicas e físicas, na qual podemos citar a Difração de Raios X. Os avanços comp

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Kitaura, R., H. Okimoto, H. Shinohara, T. Nakamura, and H. Osawa. "Magnetism of the endohedral metallofullerenes M@C_82 (M=Gd,Dy) and the corresponding nanoscale peapods: Synchrotron soft x-ray magnetic circular dichroism and density-functional theory calculations." American Physical Society, 2007. http://hdl.handle.net/2237/11305.

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Franco, Chris Hebert de Jesus. "Síntese e caracterização de polímeros de coordenação por difração de raios X." Universidade Federal de Juiz de Fora (UFJF), 2014. https://repositorio.ufjf.br/jspui/handle/ufjf/4436.

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Weißbach, Torsten. "Untersuchungen zu Kristallstruktur und Magnetismus an Übergangsmetalloxiden mittels Dichtefunktionaltheorie und kristallographischer experimenteller Techniken." Doctoral thesis, Technische Universitaet Bergakademie Freiberg Universitaetsbibliothek "Georgius Agricola", 2011. http://nbn-resolving.de/urn:nbn:de:bsz:105-qucosa-68653.

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Es werden die Verbindungen YMn2O5 und YFeMnO5 diskutiert. Die erstere zeigt unterhalb von TN = 45 K Ferromagnetismus und in der magnetischen Phase schwache Ferroelektrizität. Die elektrische Polarisation wird mit Symmetriebrechung durch die Spinstruktur erklärt, die zur Aufhebung der Inversionssymmetrie führt (sog. unechtes Ferroelektrikum). Isostrukturelle Ersetzung von Mn durch Fe führt zu YFeMnO5, einer Verbindung, die bei T<165 K ferrimagnetisch, jedoch nicht ferroelektrisch ist. Die Spin-Strukturen beider Verbindungen sind bereits eingehend untersucht und zeigen charakteristische Untersch

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Gowda, V. (Vasantha). "Experimental and computational magnetic resonance studies of selected rare earth and bismuth complexes." Doctoral thesis, Luleå University of Technology, 2017. http://jultika.oulu.fi/Record/isbn978-91-7583-948-6.

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Abstract The rare-earth elements (REEs) and bismuth, being classified as the ‘most critical raw materials’ (European Raw Materials Initiatives, 2017), have a high economic importance to the EU combined with a high relative supply risk. REEs are highly important for the evolving technologies such as clean-energy applications, high-technology components, rechargeable batteries, permanent magnets, electric and hybrid vehicles, and phosphors monitors. This scientific research work aims at building a fundamental knowledge base concerning the electronic/molecular structure and properties of rare-ear

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Deng, Zeyu. "Rational design of novel halide perovskites combining computations and experiments." Thesis, University of Cambridge, 2019. https://www.repository.cam.ac.uk/handle/1810/287932.

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The perovskite family of materials is extremely large and provides a template for designing materials for different purposes. Among them, hybrid organic-inorganic perovskites (HOIPs) are very interesting and have been recently identified as possible next generation light harvesting materials because they combine low manufacturing cost and relatively high power conversion efficiencies (PCEs). In addition, some other applications like light emitting devices are also highly studied. This thesis starts with an introduction to the solar cell technologies that could use HOIPs. In Chapter 2, previous

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21

Ritschel, Tobias. "Electronic self-organization in layered transition metal dichalcogenides." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-188265.

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The interplay between different self-organized electronically ordered states and their relation to unconventional electronic properties like superconductivity constitutes one of the most exciting challenges of modern condensed matter physics. In the present thesis this issue is thoroughly investigated for the prototypical layered material 1T-TaS2 both experimentally and theoretically. At first the static charge density wave order in 1T-TaS2 is investigated as a function of pressure and temperature by means of X-ray diffraction. These data indeed reveal that the superconductivity in this mater

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Griffith, Kent Joseph. "Atomic and electronic structure of complex metal oxides during electrochemical reaction with lithium." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/271191.

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Lithium-ion batteries have transformed energy storage and technological applications. They stand poised to convert transportation from combustion to electric engines. The discharge/charge rate is a key parameter that determines battery power output and recharge time; typically, operation is on the timescale of hours but reducing this would improve existing applications and open up new possibilities. Conventionally, the rate at which a battery can operate has been improved by synthetic strategies to decrease the solid-state diffusion length of lithium ions by decreasing particle sizes down to t

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Pigott, Jeffrey Scott. "Exploration of Earth's Deep Interior by Merging Nanotechnology, Diamond-Anvil Cell Experiments, and Computational Crystal Chemistry." The Ohio State University, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=osu1435154850.

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Zschenderlein, Uwe. "Zerstörungsfreie Eigenspannungsbestimmung für die Zuverlässigkeitsbewertung 3D-integrierter Kontaktstrukturen in Silizium." Doctoral thesis, Universitätsbibliothek Chemnitz, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-124022.

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Die Arbeit behandelt die zerstörungsfreie Eigenspannungsbestimmung in Silizium von 3D-integrierten Mikrosystemen am Beispiel Wolfram gefüllter TSVs. Dafür wurden die Verfahren der röntgenographischen Spannungsanalyse und der Raman-Spektroskopie genutzt. Interpretiert und verglichen wurden die Ergebnisse mit FE-Simulationen. Als Proben standen Querschliffe eines Doppelchip-Systems zur Verfügung, in denen der obere Chip Wolfram-TSVs enthielt. Beide Chips wurden mit dem Kupfer-Zinn-SLID-Verfahren gebondet. In Experimenten und Simulation konnte der Einfluss von Wolfram-TSVs auf die Netzebenendehnu

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Matuska, Vit. "Five-membered sulfur-nitrogen ring compounds." Thesis, St Andrews, 2009. http://hdl.handle.net/10023/828.

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Shaiek, Nesrine. "Etude expérimentale et théorique de couches moléculaires bidimensionnelles conductrices obtenues sur des surfaces orientées." Electronic Thesis or Diss., Aix-Marseille, 2022. http://theses.univ-amu.fr.lama.univ-amu.fr/221107_SHAIEK_360v291qsx248jrdp919wnla_TH.pdf.

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Les composés metal organic framework conducteurs c-MOF font partie d’une nouvelle classe de matériaux 2D, composés d'ions métalliques liés à des ligands organiques dans un réseau cristallin. Au cours de cette thèse nous avons étudié la croissance de 2D-MOF bien ordonnés M3C6O6, sous ultra-haut-vide, par réaction de surface entre des atomes de métaux de transition de cuivre et de manganèse et la molécule tétrahydroxyquinone THQ sur la surface d’argent Ag (111). Ces matériaux 2D sont étudiés par microscopie à effet tunnel (STM), diffraction d'électrons lents à basse énergie (LEED) et spectroscop

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Zschenderlein, Uwe. "Zerstörungsfreie Eigenspannungsbestimmung für die Zuverlässigkeitsbewertung 3D-integrierter Kontaktstrukturen in Silizium." Doctoral thesis, Universitätsverlag der Technischen Universität Chemnitz, 2013. https://monarch.qucosa.de/id/qucosa%3A19951.

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Die Arbeit behandelt die zerstörungsfreie Eigenspannungsbestimmung in Silizium von 3D-integrierten Mikrosystemen am Beispiel Wolfram gefüllter TSVs. Dafür wurden die Verfahren der röntgenographischen Spannungsanalyse und der Raman-Spektroskopie genutzt. Interpretiert und verglichen wurden die Ergebnisse mit FE-Simulationen. Als Proben standen Querschliffe eines Doppelchip-Systems zur Verfügung, in denen der obere Chip Wolfram-TSVs enthielt. Beide Chips wurden mit dem Kupfer-Zinn-SLID-Verfahren gebondet. In Experimenten und Simulation konnte der Einfluss von Wolfram-TSVs auf die Netzebenendehnu

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Isotta, Eleonora. "Nanostructured thermoelectric kesterite Cu2ZnSnS4." Doctoral thesis, Università degli studi di Trento, 2021. http://hdl.handle.net/11572/315174.

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To support the growing global demand for energy, new sustainable solutions are needed both economically and environmentally. Thermoelectric waste heat recovery and energy harvesting could contribute by increasing industrial process efficiency, as well as powering stand-alone devices, microgenerators, and small body appliances.The structural complexity of quaternary chalcogenide materials provides an opportunity for engineering defects and disorder, to modify and possibly improve specific properties. Cu2ZnSnS4 (CZTS, often kesterite), valued for the abundance and non-toxicity of the raw materia

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Isotta, Eleonora. "Nanostructured thermoelectric kesterite Cu2ZnSnS4." Doctoral thesis, Università degli studi di Trento, 2021. http://hdl.handle.net/11572/315174.

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To support the growing global demand for energy, new sustainable solutions are needed both economically and environmentally. Thermoelectric waste heat recovery and energy harvesting could contribute by increasing industrial process efficiency, as well as powering stand-alone devices, microgenerators, and small body appliances. The structural complexity of quaternary chalcogenide materials provides an opportunity for engineering defects and disorder, to modify and possibly improve specific properties. Cu2ZnSnS4 (CZTS, often kesterite), valued for the abundance and non-toxicity of the raw materi

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Magné, Damien. "Synthèse et structure électronique de phases MAX et MXènes." Thesis, Poitiers, 2016. http://www.theses.fr/2016POIT2284/document.

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Les objectifs de ce travail sont d'une part d'étudier la structure électronique de carbures de titane bidimensionnels appartenant à la famille des MXènes, et d'autre part de synthétiser des films minces pour caractériser certaines de leurs propriétés. L'étude de la structure électronique a été réalisée sur le système Ti3C2T2 avec une attention particulière portée aux groupements de surface T (T=OH, F ou O) en comparant les résultats obtenus par spectroscopie de perte d'énergie des électrons à ceux des calculs ab initio. Cette étude, portée à la fois sur les excitations du gaz d'électrons de va

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Tsi-Sheng, Gau, and 高蔡勝. "Solving the Intensity Problem of the Surface X-ray Diffraction Using the Dynamical Diffraction Theory." Thesis, 1994. http://ndltd.ncl.edu.tw/handle/41678916628199972432.

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博士<br>國立清華大學<br>物理研究所<br>82<br>We supply a complete calculation of the surface X-ray rod-scan. The calculated result simulates the experimental intensity dis- tribution very well.And, this result give an absolute intensity scale to the rod profile, which makes the estimation of the sur- face roughness more correctly.

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Chiu, Yi-Hua, and 邱奕樺. "Anisotropic Resonant Multi-Wave Dynamical X-ray Diffraction." Thesis, 2013. http://ndltd.ncl.edu.tw/handle/16845024153661710005.

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碩士<br>國立清華大學<br>物理系<br>101<br>This thesis is separated into two parts: The first part is mainly, focused on anisotropic resonant diffraction situation. We modified the algorithm for solving multiple-wave dynamical X-ray diffraction equations by taking into account of the structure factor of tensor form. In the last section of this part, we compare our simulated graph with the FDMNES program by DAFS to confirm the accuracy of our theory, then we could succeed in simulating the anisotropic resonant multi-wave dynamical X-ray diffraction. The software in this part is programmed by MATLAB R2012a.

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kao, Chung Pao, and 高崇寶. "The dynamical diffraction effect of x-ray surface penetration depth." Thesis, 1994. http://ndltd.ncl.edu.tw/handle/12609747807103325185.

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Tsay, Long-Yuan, and 蔡瓏元. "The research of the multiple diffraction of X-ray for using dynamical photography." Thesis, 1996. http://ndltd.ncl.edu.tw/handle/51118197289949482898.

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Chen, Hsin-Yi, and 陳心誼. "Diffraction Pattern and Dynamical Analysis of Wide-Angle Incident X-ray Surface Diffraction from Silicon Nano-Wire." Thesis, 2012. http://ndltd.ncl.edu.tw/handle/00578038992132928618.

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博士<br>國立清華大學<br>物理系<br>100<br>This work aims to study the diffraction pattern and dynamical analysis of asymmetric surface diffraction from a nano-structure on a chip. This studying is able to design a wide-angle incidence x-ray optical device using crystal surface diffraction. We have investigated the possibility of the opical device. Nano-structures were prepared on a 6-in Si (001) wafer. The Si (113) is chosen as an asymmetric surface diffraction for the photon energy 8.8785 keV according to the Si crystal orientation and diffraction geometry. The experimental results may be summarized as f

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Chiu, Mau-Sen, and 邱茂森. "Dynamical calculation for X-Ray 24-beam diffraction in a Fabry-Perot cavity of silicon." Thesis, 2008. http://ndltd.ncl.edu.tw/handle/92665657069860047007.

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博士<br>國立清華大學<br>物理學系<br>96<br>Abstract This dissertation aims at developing a theoretical approach to treat the 24-wave diffraction occurred in a Fabry-Perot type of resonant cavity of silicon by solving an eigenvalue-eigenvector equation, derived by Stetsko and Chang, deduced from the X-ray multiple-wave dynamical diffraction equation. We anticipate the calculations can offer a crystal clear physical picture for the experimental resonance pattern of the 24-wave diffraction in the X-ray Fabry-Perot cavity, and aid us design an appropriate resonant cavity to fulfill the experimental purposes.

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Hung, Chi-Yuan, and 洪齊元. "Investigation of X-ray multiple Diffraction for Macromolecular Crystals: Stereoscopic multi-beam Imaging & Dynamical calculation." Thesis, 2000. http://ndltd.ncl.edu.tw/handle/19508872767190776100.

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Chu, Chia-Hung, and 朱家宏. "Measuring Strain Field of Semiconductor Surface Structure by Dynamical Effects of X-ray Bragg-surface Diffraction." Thesis, 2010. http://ndltd.ncl.edu.tw/handle/59030215283603252238.

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博士<br>國立清華大學<br>物理學系<br>99<br>X-ray three-beam Bragg-surface diffraction (BSD) is a technique to measure the strain field near surface or buried interface of a substrate in a thin film system, using a surface reflection of X- ray multiple diffractions. The surface diffracted beam propagates along the surface/interface and provides the information about surface/interface structure. According to the dynamical theory of X-ray diffraction, the penetration depth of a surface reflection in the 3-beam geometry is a function of the deviation of azimuthal angle ( ) from the exact position for the 3-bea

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Lee, Kun-Yuan, and 李坤原. "Using X-Ray Photon Correlation Spectroscopy to Measure Lifetime in Dynamical Equalibrium System and Study of Phase Relations of InSb Using X-Ray Three-Wave Diffraction." Thesis, 2017. http://ndltd.ncl.edu.tw/handle/hgq4my.

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碩士<br>國立清華大學<br>物理學系<br>105<br>This thesis includes two sections. In the first section, we apply x-ray photon correlation spectroscopy(XPCS) to measure the lifetime in a dynamical equilibrium system. The scattered intensity from particles which float in the air or suspend in the liquid depends on the positions of which. In dynamical system, the scattered intensity fluctuates with time because the positions of the particles are changing constantly. By using the autocorrelation function, we can obtain the dynamic and the structure information of particles by analyzing the fluctuating intensity.

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Woińska, Magdalena. "Hirshfeld Atom Refinement of Crystal Structure and Experimental Wavefunction Fitting - Applying New Approaches in Modern Crystallography to Refinement of Diffraction Data." Doctoral thesis, 2017.

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Hirshfeld Atom Refinement of Crystal Structure and Experimental Wavefunction Fitting – Applying New Approaches in Modern Crystallography to Refinement of Diffraction DataTytuł w języku polskim:Udokładnienie struktury metodą atomów Hirshfelda i dopasowanie eksperymentalnej funkcji falowej – zastosowanie nowych technik współczesnej krystalografii w udokładnieniu danych dyfrakcyjnychPromotor:prof. dr hab. Krzysztof Woźniak, Wydział Chemii, Uniwersytet WarszawskiOgromny postęp w dziedzinie technik doświadczalnych z zakresu krystalografii rentgenowskiej, który dokonał się od czasów narodzin tej dzi

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Provencher, Françoise. "Influence de la structure moléculaire sur la structure cristalline et électronique de molécules organiques conjuguées : une étude spectroscopique." Thèse, 2009. http://hdl.handle.net/1866/8053.

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Weißbach, Torsten. "Untersuchungen zu Kristallstruktur und Magnetismus an Übergangsmetalloxiden mittels Dichtefunktionaltheorie und kristallographischer experimenteller Techniken." Doctoral thesis, 2010. https://tubaf.qucosa.de/id/qucosa%3A22764.

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Es werden die Verbindungen YMn2O5 und YFeMnO5 diskutiert. Die erstere zeigt unterhalb von TN = 45 K Ferromagnetismus und in der magnetischen Phase schwache Ferroelektrizität. Die elektrische Polarisation wird mit Symmetriebrechung durch die Spinstruktur erklärt, die zur Aufhebung der Inversionssymmetrie führt (sog. unechtes Ferroelektrikum). Isostrukturelle Ersetzung von Mn durch Fe führt zu YFeMnO5, einer Verbindung, die bei T<165 K ferrimagnetisch, jedoch nicht ferroelektrisch ist. Die Spin-Strukturen beider Verbindungen sind bereits eingehend untersucht und zeigen charakteristische Untersch

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Müller, Roger Alexander. "Topological order in a broken-symmetry state." Thèse, 2015. http://hdl.handle.net/1866/12352.

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Flierler, Ulrike. "Experimental Electron Density Determination of Unconventionally Bonded Boron." Doctoral thesis, 2009. http://hdl.handle.net/11858/00-1735-0000-0006-AD42-5.

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CAZZATO, Alberto. "Residual stress evaluation in innovative manufacturing techniques: FSW and FDM." Doctoral thesis, 2017. http://hdl.handle.net/11589/99055.

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Oggi, la velocità con cui vengono sviluppate tecniche di produzione innovative è sempre più crescente e nuove tecnologie o sviluppi di processi già esistenti vengono raggiunti in un tempo minore. Sebbene, queste nuove tecnologie debbano affrontare e risolvere i nuovi problemi e le questioni relative alla novità dei processi stessi, tuttavia molte volte, devono affrontare anche vecchi problemi noti da più di un secolo. Uno di questi problemi è quello delle tensioni residue. Queste ultime sono stati tensionali "congelati" che esistono in materiali o strutture, essenzialmente a causa dei process

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Ott, Holger. "Elucidation of Unconventional Bonding in Lithium Organic Compounds." Doctoral thesis, 2009. http://hdl.handle.net/11858/00-1735-0000-0006-AD47-C.

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Ulrich, Stephan. "Aggregation and Gelation in Random Networks." Doctoral thesis, 2010. http://hdl.handle.net/11858/00-1735-0000-0006-B4C7-A.

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